8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

C18H20N2O5 — CID 58235034

IUPAC8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(=O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C18H20N2O5/c1-11(21)13-8-12(18(23)19(2)3)9-14-15(22)10-16(25-17(13)14)20-4-6-24-7-5-20/h8-10H,4-7H2,1-3H3
InChIKeyXGIQVFHLTCJXGL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.53
Rot. Bonds3

About 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide

8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (PubChem CID 58235034) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
PubChem CID58235034
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
SMILESCC(=O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C18H20N2O5/c1-11(21)13-8-12(18(23)19(2)3)9-14-15(22)10-16(25-17(13)14)20-4-6-24-7-5-20/h8-10H,4-7H2,1-3H3
InChIKeyXGIQVFHLTCJXGL-UHFFFAOYSA-N
XLogP1.53
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide (CID 58235034) is 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is CC(=O)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
The InChIKey is XGIQVFHLTCJXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-11(21)13-8-12(18(23)19(2)3)9-14-15(22)10-16(25-17(13)14)20-4-6-24-7-5-20/h8-10H,4-7H2,1-3H3.
What are the key properties of 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide?
8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 58235034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).